#!/bin/sh
#set -vx

# Amber test-output filter and diff-er.
#    Originally by George Seibel for Amber 3.0 Rev A
#    4.0: added egrep -v and sed to screen irrelevant stuff -Bill Ross
#    Modifications by Dave Case
#    Rewritten in sh with floating point truncation, Scott Brozell, TSRI

# define variables with constant values
dif_ext=dif

# create usage statement
usage()
{
cat << EOF
Usage: $0 [-k] [-s] [-r relerr] [-a abserr] [-t {0,1,2,3,4,5,6,7,8}]  \
          [-v] [-w] original_file new_files

Description
       Strip irrelevant differences from all files and then diff
       original_file with each new_file, sending diff's to new_file.$dif_ext

Options
       -k
              keep the new_files and the temporary files; the default is
              to remove the new_files if the diff passes and to remove 
              the temporary files.

       -s
              ignore the sign of floating point numbers.

       -t n={0,1,2,3,4,5,6,7,8}
              truncate the last n digits of floating point numbers.

       -v
              do not emit verbose messages that indicate the processing status.

       -w
              ignore whitespace.  Note that trailing whitespace and
              blank lines are removed regardless of this option.

       -r <relerr>  Ignore errors with relative diffs less than <relerr>;
              uses Nelson Beebe's ndiff program.

       -a <abserr>  Ignore errors with absolute diffs less than <abserr>;
              uses Nelson Beebe's ndiff program.  Ignored if "-r" is set.
EOF

exit 1;
}

# standardize command line options
optionlist='kst:vwr:a:'
set -- `getopt "$optionlist" "$@"`

# parse options
on='on'
tmpdir="ddtmp."
# To wit dacdif's usage in dhfr/Run.dhfr will create these temporary files:
#ddtmp.mdout.dhfr
#ddtmp.mdout.dhfr.save
keep_files=''
ignore_sign=''
ignore_whitespace=''
truncate=''
verbose=$on
while [ $# -gt 0 ]
do
    case "$1" in
        -k)    keep_files=$on; ;;
        -s)    ignore_sign=$on ;;
        -t)    truncate=$on; shift; digits=$1 ;;
        -v)    verbose='' ;;
        -w)    ignore_whitespace=$on ;;
        -r)    ndiff=$on; shift; relerr=$1 ;;
        -a)    ndiffa=$on; shift; abserr=$1 ;;
        --)    shift; break ;;
        -*)    usage ;;
        *)     break ;;
    esac
    shift
done

# command requires at least 2 arguments
if [ $# -lt 2 ]
then
    usage;
fi

# Perform the following transformations on all files:
# ## denotes cut and pasted lines from example files
# 
# Delete lines that begin with |
##| Run on 12/26/2003 at 12:09:28
##|  MDIN: gbin                                                                  
##| Total time                 1.54 (100.0% of ALL  )
#
# Delete lines that contain VERSION
##%VERSION  VERSION_STAMP = V0001.000  DATE = 08/06/01  11:44:33                  
#
# Remove lines referring to 'dat/leap/', since these may depend on AMBERHOME
# Remove lines referring to reduce database, since these may depend on AMBERHOME
#
# Convert lowercase floating point exponent delimiters to uppercase:
#  e+  ->  E+
#  e-  ->  E-
# Delete useless floating point exponent fields, ie, 
#  E+, E-, E+0, E-0, E+00, E-00, etc.
# Delete leading zeros in floating point exponent fields, ie, 
#  E+004 -> E+4
#  E-005 -> E-5
# Prepend zero to floating point numbers beginning with ., ie, convert:
#    . ->  0.
#   -. -> -0.
# Convert all forms of floating point zero to 0., ie, 
#  -0. ->  0., +0. ->  0., -0.0 ->  0.0, etc.
#
# Convert DOS line terminators to UNIX line terminators
#
# Remove trailing whitespace
#
# Remove blank lines
#
# Remove "Ewald error estimate" lines
#
# Optionally remove signs, truncate digits, and remove whitespace

for path in $@
do
    file=`echo $path | sed 's@/@_@g'`  # convert pathname into unique filename
    cat $path |
    # use @ (or |) to delimit regular expressions to improve readability.
    # this requires \@ for regular expression addresses.
    # see UNIX Power Tools, 2nd ed., p617.
    sed -e '\@^|@d' \
        -e '\@VERSION@d' \
        -e '\@Database of HETATM@d' \
        -e '\@Ewald error estimate:@d' \
        -e '\@dat/leap/@d' \
        -e 's@e+@E+@g' \
        -e 's@e-@E-@g' \
        -e 's@E[-+]0*\([^0-9]\)@\1@g' \
        -e 's@E[-+]0*$@@g' \
        -e 's@E\([-+]\)0*\([1-9]\)@E\1\2@g' \
        -e 's@ \([- ]\)\.\([0-9]\)@\10.\2@g' \
        -e 's@[-+ ]0\.0*\([^0-9]\)@ 0.\1@g' \
        -e 's@[-+ ]0\.0*$@ 0.@g' \
        -e 's@$@@' \
        -e 's@ *$@@' \
        -e '\@^$@d' \
        > $tmpdir$file
    if [ "$ignore_sign" = "$on" ]
    then
        mv $tmpdir$file $tmpdir$file.t
        sed -e 's@[-+]\([0-9][0-9]*\.[0-9]*\)@ \1@g' \
            $tmpdir$file.t > $tmpdir$file
        if [ "$keep_files" != "$on" ]
        then
            /bin/rm $tmpdir$file.t
        fi
    fi
    if [ "$truncate" = "$on" ]
    then
        mv $tmpdir$file $tmpdir$file.t
        case "$digits" in
            0)    cat $tmpdir$file.t > $tmpdir$file ;;
            1)    sed -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      $tmpdir$file.t > $tmpdir$file ;;
            2)    sed -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      $tmpdir$file.t > $tmpdir$file ;;
            3)    sed -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      $tmpdir$file.t > $tmpdir$file ;;
            4)    sed -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      $tmpdir$file.t > $tmpdir$file ;;
            5)    sed -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      $tmpdir$file.t > $tmpdir$file ;;
            6)    sed -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      $tmpdir$file.t > $tmpdir$file ;;
            7)    sed -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      $tmpdir$file.t > $tmpdir$file ;;
            8)    sed -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      -e 's@\([-+]\{0,1\}[0-9][0-9]*\.[0-9]*\)[0-9]@\1@g' \
                      $tmpdir$file.t > $tmpdir$file ;;
            *)    usage ;;
        esac
        if [ "$keep_files" != "$on" ]
        then
            /bin/rm $tmpdir$file.t
        fi
    fi
done

# get original file
original=$1
file=`echo $original | sed 's@/@_@g'`  # convert pathname into unique filename
old=$tmpdir$file
shift

# diff old with each new file storing diff's in file with extension dif_ext
for path in $@
do
    file=`echo $path | sed 's@/@_@g'`  # convert pathname into unique filename
    new=$tmpdir$file
    if [ "$verbose" = "$on" ]
    then
        echo "diffing $original with $path"
    fi
    if [ "$ignore_whitespace" = "$on" ]
    then
        diff -w $old $new > $path.$dif_ext
    else
        if [ "$ndiff" = "$on" ]
        then
            #  $AMBERHOME/exe/ndiff -r $relerr $old $new > $path.$dif_ext
            awk -f $AMBERHOME/test/ndiff.awk -v RELERR=$relerr \
                 $old $new > $path.$dif_ext
        elif [ "$ndiffa" = "$on" ]
        then
            awk -f $AMBERHOME/test/ndiff.awk -v ABSERR=$abserr \
                 $old $new > $path.$dif_ext
        else
            diff $old $new > $path.$dif_ext
        fi
    fi
    status=$?
    if [ $status -eq 0 ]
    then
        if [ "$verbose" = "$on" ]
        then
            echo "PASSED"
        fi
        if [ "$keep_files" != "$on" ]
        then
            /bin/rm $path.$dif_ext $path
        else
            /bin/rm $path.$dif_ext
        fi
    else
        #Figure out the directory we are in and the main test directory
        #for writing TEST_FAILURES info file
        fulldir=`pwd`
        dacdifdir=`echo $0 | sed s/dacdif//`
        echo "possible FAILURE:  check $path.$dif_ext"
        echo "possible FAILURE:  check $path.$dif_ext" >> $dacdifdir/TEST_FAILURES.diff
        echo $fulldir >> $dacdifdir/TEST_FAILURES.diff
        cat $path.$dif_ext >> $dacdifdir/TEST_FAILURES.diff
        echo "---------------------------------------" >> $dacdifdir/TEST_FAILURES.diff
    fi
    echo "=============================================================="
    if [ "$keep_files" != "$on" ]
    then
        /bin/rm $new
    fi
done

if [ "$keep_files" != "$on" ]
then
    /bin/rm $old
fi
exit

